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GPCR

NameAdenosine receptor A1
SpeciesRattus norvegicus (Rat)
GeneAdora1
SynonymA1 receptor
A1-AR
A1R
adenosine receptor A1
RDC7
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProtP25099
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL318
IUPHAR18
DrugBankN/A

Ligand

NameCHEMBL1790736
Molecular formulaC16H22ClN5O3
IUPAC name(2R,3S,5R)-5-[2-chloro-6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Molecular weight367.834
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.3
SynonymsAdenosine, 2-chloro-N-cyclohexyl-2'-deoxy-
2-Chloro-N-cyclohexyl-2'-deoxyadenosine
BDBM50369637
SCHEMBL7654753
Inchi KeyAGLVJWCZPBFXMM-QJPTWQEYSA-N
Inchi IDInChI=1S/C16H22ClN5O3/c17-16-20-14(19-9-4-2-1-3-5-9)13-15(21-16)22(8-18-13)12-6-10(24)11(7-23)25-12/h8-12,23-24H,1-7H2,(H,19,20,21)/t10-,11+,12+/m0/s1
PubChem CID56664850
ChEMBLCHEMBL1790736
IUPHARN/A
BindingDB50369637
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
KH61.7 nMPMID10649980ChEMBL
Ki497.0 nMPMID10649980BindingDB,ChEMBL
Ki2560.0 nMPMID10649980BindingDB,ChEMBL
KL1590.0 nMPMID10649980ChEMBL
RIA0.0 -PMID10649980ChEMBL

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